4-amino-3-chloro-5-fluoro-6-(7-fluoro-1H-indol-6-yl)pyridine-2-carboxylic acid

C14H8ClF2N3O2 — CID 90417980

IUPAC4-amino-3-chloro-5-fluoro-6-(7-fluoro-1H-indol-6-yl)pyridine-2-carboxylic acid
SMILESNc1c(F)c(-c2ccc3cc[nH]c3c2F)nc(C(=O)O)c1Cl
InChIInChI=1S/C14H8ClF2N3O2/c15-7-10(18)9(17)12(20-13(7)14(21)22)6-2-1-5-3-4-19-11(5)8(6)16/h1-4,19H,(H2,18,20)(H,21,22)
InChIKeyCIPJEXPBJDLNIP-UHFFFAOYSA-N
MW323.69 g/mol
LogP3.44
Rot. Bonds2

About 4-amino-3-chloro-5-fluoro-6-(7-fluoro-1H-indol-6-yl)pyridine-2-carboxylic acid

4-amino-3-chloro-5-fluoro-6-(7-fluoro-1H-indol-6-yl)pyridine-2-carboxylic acid (PubChem CID 90417980) has the molecular formula C14H8ClF2N3O2 and a molecular weight of 323.69 g/mol. Its IUPAC name is 4-amino-3-chloro-5-fluoro-6-(7-fluoro-1H-indol-6-yl)pyridine-2-carboxylic acid.

Molecular Properties

Compound Name4-amino-3-chloro-5-fluoro-6-(7-fluoro-1H-indol-6-yl)pyridine-2-carboxylic acid
PubChem CID90417980
Molecular FormulaC14H8ClF2N3O2
Molecular Weight323.69 g/mol
Exact Mass323.03
IUPAC Name4-amino-3-chloro-5-fluoro-6-(7-fluoro-1H-indol-6-yl)pyridine-2-carboxylic acid
SMILESNc1c(F)c(-c2ccc3cc[nH]c3c2F)nc(C(=O)O)c1Cl
InChIInChI=1S/C14H8ClF2N3O2/c15-7-10(18)9(17)12(20-13(7)14(21)22)6-2-1-5-3-4-19-11(5)8(6)16/h1-4,19H,(H2,18,20)(H,21,22)
InChIKeyCIPJEXPBJDLNIP-UHFFFAOYSA-N
XLogP3.44
TPSA92.00 Ų
H-Bond Donors3
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500323.69
LogP ≤ 53.44
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 103

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Related Compounds

3-[(E)-2-carboxy-2-pyridin-3-ylethenyl]-4,6-dichloro-1H-indole-2-carboxylic acid
CID 10045107
3-(2-chlorophenyl)-4-ethyl-5-(1~{H}-indol-4-yl)-1~{H}-pyrrole-2-carboxylic acid
CID 146350069
6-Chloro-1-[[4-(trifluoromethyl)phenyl]methyl]pyrrolo[3,2-b]pyridine-2-carboxylic acid
CID 127053026
US10174026, Example 112
CID 117637289
US10174026, Example 114
CID 117637337
6-chloro-1H-pyrrolo[3,2-c]pyridine-2-carboxylic acid
CID 37818974
7-Fluoro-1H-indole-6-carboxylic acid
CID 11701136
4-(4-chlorophenyl)-1~{H}-indole-6-carboxylic acid
CID 169501676
7-chloro-3-methyl-1H-pyrrolo(3,2-c)quinoline-4-carboxylic acid
CID 9881645
1H-pyrrolo(3,2-c)pyridine-6-carboxylic acid
CID 22633100
methyl 4-amino-3-chloro-5-fluoro-6-(7-fluoro-1H-indol-6-yl)pyridine-2-carboxylate
CID 78319091
3-(2-chlorophenyl)-5-(1H-indol-4-yl)-4-propyl-1H-pyrrole-2-carboxylic acid
CID 146350118

Frequently Asked Questions

What is the IUPAC name of 4-amino-3-chloro-5-fluoro-6-(7-fluoro-1H-indol-6-yl)pyridine-2-carboxylic acid?
The IUPAC name of 4-amino-3-chloro-5-fluoro-6-(7-fluoro-1H-indol-6-yl)pyridine-2-carboxylic acid (CID 90417980) is 4-amino-3-chloro-5-fluoro-6-(7-fluoro-1H-indol-6-yl)pyridine-2-carboxylic acid.
What is the SMILES notation for 4-amino-3-chloro-5-fluoro-6-(7-fluoro-1H-indol-6-yl)pyridine-2-carboxylic acid?
The canonical SMILES for 4-amino-3-chloro-5-fluoro-6-(7-fluoro-1H-indol-6-yl)pyridine-2-carboxylic acid is Nc1c(F)c(-c2ccc3cc[nH]c3c2F)nc(C(=O)O)c1Cl.
What is the InChIKey of 4-amino-3-chloro-5-fluoro-6-(7-fluoro-1H-indol-6-yl)pyridine-2-carboxylic acid?
The InChIKey is CIPJEXPBJDLNIP-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H8ClF2N3O2/c15-7-10(18)9(17)12(20-13(7)14(21)22)6-2-1-5-3-4-19-11(5)8(6)16/h1-4,19H,(H2,18,20)(H,21,22).
What are the key properties of 4-amino-3-chloro-5-fluoro-6-(7-fluoro-1H-indol-6-yl)pyridine-2-carboxylic acid?
4-amino-3-chloro-5-fluoro-6-(7-fluoro-1H-indol-6-yl)pyridine-2-carboxylic acid has a molecular weight of 323.69 g/mol, XLogP of 3.44, 2 rotatable bonds, 3 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4-amino-3-chloro-5-fluoro-6-(7-fluoro-1H-indol-6-yl)pyridine-2-carboxylic acid is sourced from PubChem (CID 90417980), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).